Monomers
1-Octene
Identifiers
IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
3.2774 -0.6042 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6977 0.7865 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2250 0.7798 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4440 -0.0274 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9928 0.0388 0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9335 -0.6897 1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3215 -0.5182 0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5381 0.1822 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3250 -0.6151 -0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6413 -1.3465 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3542 -0.9148 1.2083 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2121 1.3599 -0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8332 1.3287 1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9826 0.4623 -1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8629 1.8345 -0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8617 -1.0566 0.7915 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6163 0.4479 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2829 1.1162 0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0577 -0.4037 -0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9792 -0.3542 2.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7434 -1.7882 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1783 -0.9724 1.2261 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5478 0.2764 -0.7253 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7582 0.6778 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers